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Functional bent-core liquid crystals studied through second harmonic generation and X-ray diffraction
(Servicio Editorial de la Universidad del País Vasco/Euskal Herriko Unibertsitatearen Argitalpen Zerbitzua, 2009-10-25)
Los moléculas mesógenas con forma de banana (bent-core) dan lugar a nuevas fases
cristal líquido con diversas funcionalidades de interés en aplicaciones tecnológicas. En
esta tesis se han estudiado y caracterizado nuevos ...
Position-dependent exact-exchange energy for slabs and semi-infinite jellium
(American Physical Society, 2009-12)
The position-dependent exact-exchange energy per particle epsilon(x)(z) (defined as the interaction between a given electron at z and its exact-exchange hole) at metal surfaces is investigated, by using either jellium slabs ...
Exchange-Correlation Hole of a Generalized Gradient Approximation for Solids and Surfaces
(American Physical Society, 2009-02)
We propose a generalized gradient approximation (GGA) for the angle- and system-averaged exchange-correlation hole of a many-electron system. This hole, which satisfies known exact constraints, recovers the Perdew-Burke-Ernzerhof ...